Header list of 1vdi.pdb file
Complete list - r 2 2 Bytes
HEADER CONTRACTILE PROTEIN 22-MAR-04 1VDI
TITLE SOLUTION STRUCTURE OF ACTIN-BINDING DOMAIN OF TROPONIN IN CA2+-FREE
TITLE 2 STATE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TROPONIN I, FAST SKELETAL MUSCLE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 131-182;
COMPND 5 SYNONYM: TROPONIN I, FAST-TWITCH ISOFORM;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
SOURCE 3 ORGANISM_COMMON: CHICKEN;
SOURCE 4 ORGANISM_TAXID: 9031;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET3A
KEYWDS TROPONIN, ACTIN, TROPOMYOSIN, CONTRACTILE PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.MURAKAMI,F.YUMOTO,S.OHKI,T.YASUNAGA,M.TANOKURA,T.WAKABAYASHI
REVDAT 4 02-MAR-22 1VDI 1 REMARK
REVDAT 3 24-FEB-09 1VDI 1 VERSN
REVDAT 2 13-SEP-05 1VDI 1 AUTHOR
REVDAT 1 06-SEP-05 1VDI 0
JRNL AUTH K.MURAKAMI,F.YUMOTO,S.OHKI,T.YASUNAGA,M.TANOKURA,
JRNL AUTH 2 T.WAKABAYASHI
JRNL TITL STRUCTURAL BASIS FOR CA(2+)-REGULATED MUSCLE RELAXATION AT
JRNL TITL 2 INTERACTION SITES OF TROPONIN WITH ACTIN AND TROPOMYOSIN
JRNL REF J.MOL.BIOL. V. 352 178 2005
JRNL REFN ISSN 0022-2836
JRNL PMID 16061251
JRNL DOI 10.1016/J.JMB.2005.06.067
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1VDI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-MAR-04.
REMARK 100 THE DEPOSITION ID IS D_1000006493.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O ARG A 161 H GLU A 165 1.59
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 ASN A 133 -33.01 -37.23
REMARK 500 1 LYS A 141 -105.19 -53.24
REMARK 500 1 GLN A 142 161.81 73.36
REMARK 500 1 VAL A 143 113.25 -39.80
REMARK 500 1 ASP A 156 45.58 -71.44
REMARK 500 1 VAL A 157 -77.75 -67.32
REMARK 500 1 ARG A 161 -70.12 -60.03
REMARK 500 1 LYS A 162 -46.17 -28.84
REMARK 500 1 ASN A 163 -83.00 -63.12
REMARK 500 1 LYS A 167 74.48 -105.77
REMARK 500 1 SER A 168 -82.01 -168.41
REMARK 500 1 GLU A 171 -72.28 -54.14
REMARK 500 1 ARG A 173 -75.84 -44.83
REMARK 500 1 PHE A 177 73.72 -178.40
REMARK 500 1 ALA A 179 75.65 60.27
REMARK 500 2 ASN A 133 -36.55 -35.42
REMARK 500 2 LYS A 141 -106.79 -79.38
REMARK 500 2 GLN A 142 -176.45 66.47
REMARK 500 2 LYS A 144 66.32 -110.72
REMARK 500 2 ASP A 147 -87.91 157.51
REMARK 500 2 THR A 148 -51.65 -152.62
REMARK 500 2 ARG A 155 138.46 -25.53
REMARK 500 2 ASP A 156 -5.62 84.75
REMARK 500 2 VAL A 157 -81.21 -37.90
REMARK 500 2 TRP A 160 -32.06 -38.46
REMARK 500 2 ARG A 161 -77.55 -73.82
REMARK 500 2 LYS A 162 -37.17 -32.80
REMARK 500 2 ASN A 163 -74.54 -61.80
REMARK 500 2 GLU A 166 -77.68 -91.86
REMARK 500 2 SER A 168 65.51 -108.95
REMARK 500 2 PHE A 177 71.20 -164.23
REMARK 500 3 ASN A 133 -31.06 -38.64
REMARK 500 3 LYS A 141 -87.45 -58.56
REMARK 500 3 GLN A 142 65.54 74.14
REMARK 500 3 VAL A 143 93.32 45.06
REMARK 500 3 LYS A 145 -160.97 -160.97
REMARK 500 3 GLU A 146 -30.39 173.25
REMARK 500 3 LEU A 154 -167.04 -124.27
REMARK 500 3 VAL A 157 -72.12 -30.23
REMARK 500 3 ARG A 161 -72.23 -52.77
REMARK 500 3 LYS A 162 -51.35 -22.94
REMARK 500 3 ASN A 163 -82.04 -63.08
REMARK 500 3 LYS A 167 -74.94 -38.49
REMARK 500 3 ARG A 173 -70.75 -74.66
REMARK 500 3 PHE A 177 -65.66 -91.86
REMARK 500 3 GLU A 178 -3.11 74.89
REMARK 500 3 ALA A 179 74.98 35.63
REMARK 500 4 ASN A 133 -35.09 -36.35
REMARK 500 4 GLN A 142 -43.41 -132.02
REMARK 500 4 ASP A 147 134.86 -170.23
REMARK 500
REMARK 500 THIS ENTRY HAS 304 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1VDJ RELATED DB: PDB
REMARK 900 THE SAME PROTEIN IN CA2+-BOUND STATE
DBREF 1VDI A 131 182 UNP P68246 TNNI2_CHICK 131 182
SEQRES 1 A 52 LYS VAL ASN MET ASP LEU ARG ALA ASN LEU LYS GLN VAL
SEQRES 2 A 52 LYS LYS GLU ASP THR GLU LYS GLU LYS ASP LEU ARG ASP
SEQRES 3 A 52 VAL GLY ASP TRP ARG LYS ASN ILE GLU GLU LYS SER GLY
SEQRES 4 A 52 MET GLU GLY ARG LYS LYS MET PHE GLU ALA GLY GLU SER
HELIX 1 1 LYS A 131 LYS A 141 1 11
HELIX 2 2 VAL A 157 LYS A 167 1 11
HELIX 3 3 SER A 168 GLU A 178 1 11
SHEET 1 A 2 LYS A 144 LYS A 145 0
SHEET 2 A 2 GLU A 151 LYS A 152 -1 O LYS A 152 N LYS A 144
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - r 2 2 Bytes